SCHEMBL5192809

SCHEMBL5192809

COc1ccc(C(=S)SC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TP53 P04637 2/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL237978 0.84 CES2 (0.52) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL10908525 0.78 HDAC3 (0.59) MAPTCES2CES1SMN1; SMN2ALDH1A1
SCHEMBL16300516 0.78 ALDH1A1 (0.49) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL23743522 0.78 CES2 (0.45) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL3448365 0.77 CES2 (0.58) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL8116161 0.76 CES2 (0.56) NPC1RAB9AMAPTCES2CES1
SCHEMBL9547489 0.76 CES2 (0.53) RAB9AMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL23731321 0.75 NPC1 (0.51) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL10045847 0.75 CES2 (0.56) NPC1RAB9AMAPTCYP1A2CYP3A4
SCHEMBL1156566 0.75 CES2 (0.56) NPC1RAB9AMAPTCYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019217628-A1 COMPOSITIONS AND METHODS CONCERNING IMMUNE TOLERANCE THE UNIVERSITY OF CHICAGO (US) 2019-11-14 WO disclosed
US-7402690-B2 Chain transfer agents for raft polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2008-07-22 US disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
US-20070123670-A1 Chain transfer agents for raft polymerization in aqueous media MCCORMICK CHARLES L 2007-05-31 US disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 NPC1 1701/4885RAB9A 4414/4885MAPT 1171/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.